Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.92	5.45	-8.46	2	5	0	70	265.338	4	↓ MOL2 SDF SMILES Flexibase
Ref Reference (pH 7)	2.92	5.45	-9.77	2	5	0	70	265.338	4	↓ MOL2 SDF SMILES Flexibase

Vendor Notes

Note Type	Comments	Provided By
mechanism	.	ZereneX Building Blocks
ALOGPS_SOLUBILITY	2.28e-02 g/l	DrugBank-approved
Melting_Point	208-210?	Alfa-Aesar
Melting_Point	208-210°	Alfa-Aesar
MP	210	TCI
MP	215 - 217	Enamine Building Blocks
MP	215...217	Enamine Building Blocks
purity	9.500000000000000e+001	Enamine Building Blocks Enamine Building Blocks
Indications	anthelmintic	KeyOrganics Bioactives
biological_use	Anthelmintic.	IBScreen Bioactives
biological_use	Anthelmintic. Investigated for treatment of chronic stronglyoidiasis, and for microsporidiosis in AIDS patients	ZereneX Building Blocks
mechanism	Causes degenerative alterations in the tegument and intestinal cells of the worm by binding to the colchicine-sensitive site of tubulin,	IBScreen Bioactives
UniProt Database Links	CP3A4_HUMAN; Y1708_MYCTU; Y2345_MYCTU; Y3660_MYCTU; Y3835_MYCTU	ChEBI
mechanism	Degenerative changes in the endoplasmic reticulum, the mitochondria of the germinal layer, and the subsequent release of lysosomes result in decreased production of adenosine triphosphate (ATP),	IBScreen Bioactives
mechanism	Due to diminished energy production, the parasite is immobilized and eventually dies	IBScreen Bioactives
biological_use	Investigated for treatment of chronic stronglyoidiasis, and for microsporidiosis in AIDS patients	IBScreen Bioactives
Target	Microtubule Associated	Selleck Chemicals
PUBCHEM_SUBSTANCE_COMMENT	NCC_SAMPLE_SUPPLIER : LightBiologicals; NCC_SUPPLIER_STRUCTURE_ID : A-7346; NCC_SUPPLIER_SAMPLE_COMMENTS : OFF-WHITE POWDER	NIH Clinical Collection via PubChem
Target	Others	Selleck Chemicals
PUBCHEM_SUBSTANCE_COMMENT	SAMPLE_SUPPLIER: LightBiologicals; SUPPLIER_STRUCTURE_ID: A-7346; SUPPLIER_COMMENTS: OFF-WHITE POWDER	NIH Clinical Collection via PubChem
mechanism	The loss of the cytoplasmic microtubules leads to impaired uptake of glucose by the larval and adult stages of the susceptible parasites, and depletes their glycogen stores.	IBScreen Bioactives
mechanism	thus inhibiting its polymerization or assembly into microtubules.	IBScreen Bioactives
Patent Database Links	US2003105066; US2004254182; US2006222684; US2007208134; US2008194694; US2008255073; WO2006134466	ChEBI
Purity	USP24	APIChem
mechanism	which is the energy required for the survival of the helminth.	IBScreen Bioactives

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
Z100715-2-O	Nippostrongylus Brasiliensis (cluster #2 Of 2), Other	Other	340	0.50	Functional ≤ 10μM
Z50467-2-O	Trichomonas Vaginalis (cluster #2 Of 3), Other	Other	1592	0.45	Functional ≤ 10μM
Z50468-2-O	Giardia Intestinalis (cluster #2 Of 4), Other	Other	37	0.58	Functional ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
Z50468	Z50468	Giardia Intestinalis	37	0.58	Functional ≤ 10μM
Z100715	Z100715	Nippostrongylus Brasiliensis	340	0.50	Functional ≤ 10μM
Z50467	Z50467	Trichomonas Vaginalis	1590.5	0.45	Functional ≤ 10μM

Analogs ( Draw Identity 99% 90% 80% 70% )

34441013

Synonyms (190)
Vendors (44)
Annotations (29)
Representations (2)
Notes (25)
Targets (3)
Clustered (3)
Reactome (0)
Rings (0)
Analogs (1)